N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C25H20N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C25H20N3O2Cl |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c1cccc(OCc(cc2)ccc2Cl)c1 |
| InChI | InChI=1S/C25H20ClN3O2/c26-21-12-10-19(11-13-21)18-31-22-7-5-6-20(16-22)17-27-28-25(30)23-8-1-2-9-24(23)29-14-3-4-15-29/h1-17H,18H2,(H,28,30) |
| InChIK | OSMUKHXCCOILBJ-UHFFFAOYSA-N |
| TotalMolweight | 429.906 |
| Molweight | 429.906 |
| MonoisotopicMass | 429.124404 |
| CLogP | 5.3406 |
| CLogS | -8.111 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 334.89 |
| Relative PSA | 0.1579 |
| PolarSurfaceArea | 55.62 |
| Druglikeness | 4.761 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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